Dynamic NMR study of tri-tert-butylcarbinol and of a carbinol-methylaluminoxane mixture

Autor:	Barbro Löfgren, Tapio Hase, Kimmo Hakala, Tuulamari Helaja, Juho Helaja
Rok vydání:	2000
Předmět:	chemistry.chemical_compound Crystallography chemistry Alkoxide Methylaluminoxane Proton NMR Organic chemistry General Materials Science General Chemistry Fluorine-19 NMR Carbon-13 NMR Two-dimensional nuclear magnetic resonance spectroscopy Heteronuclear single quantum coherence spectroscopy
Zdroj:	Magnetic Resonance in Chemistry. 38:165-171
ISSN:	1097-458X 0749-1581
DOI:	10.1002/(sici)1097-458x(200003)38:3<165::aid-mrc615>3.0.co;2-e
Popis:	The reaction of tri-tert-butylcarbinol and oligomeric methylaluminoxane (MAO) prepared in toluene-d8 was studied by analysing the reaction mixture utilizing ROESY, HSQC and HMBC 2D NMR experiments. The formation of one main alkoxide was observed in the reaction. Dynamic 13C NMR and semiempirical PM3 molecular modelling were used in concert to study the tert-butyl group rotation barriers of this alkoxide. From several modelled acyclic and cyclic MAO fragments, an open chain—Al(Me)OAl(Me)—fragment was observed to be consistent with the NMR results. Copyright © 2000 John Wiley & Sons, Ltd.
Databáze:	OpenAIRE
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